| CAS Number | 179011-40-6 |
| Catalog Number | AG00HZX7(AGN-PC-0WRACS) |
| Chemical Name | 1-(Benzyloxy)-2,4-difluoro-5-nitrobenzene |
| IUPAC Name | 1,5-difluoro-2-nitro-4-phenylmethoxybenzene |
| InChI | InChI=1S/C13H9F2NO3/c14-10-6-11(15)13(7-12(10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | KLYRDPKOZGWJKC-UHFFFAOYSA-N |
| MDL Number | MFCD29043665 |
| Molecular Formula | C13H9F2NO3 |
| Molecular Weight | 265.2123 |
| SMILES | Fc1cc(F)c(cc1OCc1ccccc1)[N+](=O)[O-] |
| Synonyms | 1-(BENZYLOXY)-2,4-DIFLUORO-5-NITROBENZENE,
179011-40-6,
SCHEMBL810439,
KLYRDPKOZGWJKC-UHFFFAOYSA-N,
ZINC60148804,
benzyl 2,4-difluoro-5-nitrophenyl ether,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.216g/mol |
| Monoisotopic Mass | 265.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number